SCHEMBL14753920

SCHEMBL14753920

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.58
▸ NPY1R P25929 11/20 0.58
▸ NPY5R Q15761 10/20 0.58
▸ NPY2R P49146 7/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17950964 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL24306611 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27115303 0.90 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29888632 0.89 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27112962 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL19069865 0.88 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12035313 0.88 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31222384 0.86 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29860010 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27852310 0.86 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 — — US disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 — — US disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX NPY4R 3713/4885NPY1R 3569/4885NPY5R 2553/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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